HALF-PROJECTED HARTREE-FOCK METHOD .2. RESULTS FOR SOME SMALL MOLECULES AND SOME SYMMETRY CONSIDERATIONS

被引：19

作者：

COX, PA ^{[1
]}

WOOD, MH ^{[1
]}

机构：

[1] UNIV LOUIS PASTEUR, INST CHIM, STRASBOURG, FRANCE

来源：

THEORETICA CHIMICA ACTA | 1976年 / 41卷 / 04期

关键词：

D O I：

10.1007/BF01177996

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：279 / 285

页数：7

共 16 条

[1] SINGLE DETERMINANT WAVE FUNCTIONS [J].

AMOS, AT ;

HALL, GG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+

[2] NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].

BENDER, CF ;

DAVIDSON, ER .

JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&

[3] UNRESTRICTED PROJECTED HARTREE-FOCK SOLUTIONS FOR 2-ELECTRON SYSTEMS [J].

BUNGE, CF .

PHYSICAL REVIEW, 1967, 154 (01) :70-&

[4] EXTENDED HARTREE-FOCK METHOD USING CORRESPONDING ORBITALS - APPLICATION TO LITHIUM HYDRIDE [J].

BURDEN, FR .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (04) :647-&

[5] HALF-PROJECTED HARTREE-FOCK METHOD .1. EIGENVALUE FORMULATION AND SIMPLE APPLICATIONS [J].

COX, PA ;

WOOD, MH .

THEORETICA CHIMICA ACTA, 1976, 41 (04) :269-278

[6] MULTICONFIGURATION WAVEFUNCTIONS OBTAINED BY APPLICATION OF GENERALIZED BRILLOUIN THEOREM [J].

GREIN, F ;

CHANG, TC .

CHEMICAL PHYSICS LETTERS, 1971, 12 (01) :44-&

[7]

LEFEBVRE R, 1967, INT J QUANTUM CHEM, V1, P403

[8] QUANTUM THEORY OF MANY-PARTICLE SYSTEMS .3. EXTENSION OF THE HARTREE-FOCK SCHEME TO INCLUDE DEGENERATE SYSTEMS AND CORRELATION EFFECTS [J].

LOWDIN, PO .

PHYSICAL REVIEW, 1955, 97 (06) :1509-1520

[9] MAGNETIC HYPERFINE STRUCTURE OF LITHIUM USING AN APPROXIMATE PROJECTED HARTREE-FOCK METHOD [J].

LUNELL, S .

PHYSICAL REVIEW, 1968, 173 (01) :85-&

[10] PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE [J].

MEYER, W .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1017-1035

← 1 2 →